[(1S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-1-(4-fluorophenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-1-(4-fluorophenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(1,3-benzodioxole-5-carbonylamino)-1-(4-fluorophenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(4-fluorophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(1,3-benzodioxole-5-carbonylamino)-1-(4-fluorophenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-fluorophenyl)-2-(piperonyloylamino)ethyl]-dimethyl-ammonium Formula: C18H20FN2O3+ MolecularWeight: 331.361403

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN2O3/c1-21(2)15(12-3-6-14(19)7-4-12)10-20-18(22)13-5-8-16-17(9-13)24-11-23-16/h3-9,15H,10-11H2,1-2H3,(H,20,22)/p+1/t15-/m1/s1